CID 118980

1-naphthalenesulfonyl chloride, 3-diazo-3,4-dihydro-4-oxo-

Structural Information

Molecular Formula
C10H6ClN2O3S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)[N+]#N)S(=O)(=O)Cl
InChI
InChI=1S/C10H5ClN2O3S/c11-17(15,16)9-5-8(13-12)10(14)7-4-2-1-3-6(7)9/h1-5H/p+1
InChIKey
HAGVXVSNIARVIZ-UHFFFAOYSA-O
Compound name
4-chlorosulfonyl-1-hydroxynaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

513
Patents

268.97876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98604 164.6
[M+Na]+ 291.96798 177.7
[M-H]- 267.97148 170.0
[M+NH4]+ 287.01258 181.3
[M+K]+ 307.94192 167.2
[M+H-H2O]+ 251.97602 156.2
[M+HCOO]- 313.97696 175.9
[M+CH3COO]- 327.99261 198.4
[M+Na-2H]- 289.95343 172.1
[M]+ 268.97821 163.5
[M]- 268.97931 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.